Glycoside
GD140036
Name:
2-{[2-({8-[(4,5-dihydroxy-6-methyl-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-2,6-dimethylocta-2,6-dien-1-yl}oxy)-4,5-dihydroxy-6-methyloxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C34H58O20Smiles:
CC(=CCOC1OC(C)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O)CCC=C(C)COC1OC(C)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1OAglycone:
CC(=CCCC(C)=CCO)COSugarmoiety:
CC1OC(O)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O.CC1OC(O)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 4 |
| HBD: | 12 | FractionCSP3: | 0.88 |
| AlogP: | -5.0 | Num_rotatable_bonds: | 15 |
| MolWt: | 786.82 | Num_heavy_atoms: | 54 |
| TPSA: | 316.6 | NumAromaticRings: | 0 |
Unique Aglycone
AD51066
Formula: C10H18O2
Smiles:
CC(=CCCC(C)=CCO)CO| HBA: | 2 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.6 |
| AlogP: | 1.64 | Num_rotatable_bonds: | 5 |
| MolWt: | 170.25 | Num_heavy_atoms: | 12 |
| TPSA: | 40.46 | NumAromaticRings: | 0 |
